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CHEBI:232244 - 7-oxovalinolithocholic acid

Default Structure
ChEBI IDCHEBI:232244
ChEBI Name7-oxovalinolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC29H47NO5
Net Charge0
Average Mass489.697
Monoisotopic Mass489.34542
SMILESCC(C)[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O
InChIInChI=1S/C29H47NO5/c1-16(2)26(27(34)35)30-24(33)9-6-17(3)20-7-8-21-25-22(11-13-29(20,21)5)28(4)12-10-19(31)14-18(28)15-23(25)32/h16-22,25-26,31H,6-15H2,1-5H3,(H,30,33)(H,34,35)/t17-,18+,19-,20-,21+,22+,25+,26+,28+,29-/m1/s1
InChIKeyNQITUVUSTXABGZ-CPXQCRCTSA-N
ChEBI Ontology
Outgoing Relation(s)
7-oxovalinolithocholic acid (CHEBI:232244) is a organic molecular entity (CHEBI:50860)